Yao Yao wrote:
Hi all,
I am constructing a new molecule in OPLS force field. Though I modified
ffbonded.itp, ffnonbonded.itp, atomtypes.atp
aminoacids.rtp, it still gives error "Unknown Molecule_Atomtype". I have
opened all the files in the OPLS force field but really do not see any
other files I could modify.
Please copy and paste the exact error message from the terminal, as well as the
command that gave the error. I can't find any reference in the code to the
error you posted, but the actual screen output will have all the relevant
information.
-Justin
Does anyone have this kind of problem before?
Thanks,
Yao
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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